CID 206148

Brn 2157350

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCN(CC)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C21H23NO2/c1-4-22(5-2)14-19-17-11-10-15-8-6-7-9-16(15)21(23)18(17)12-13-20(19)24-3/h6-13H,4-5,14H2,1-3H3
InChIKey
RRYJDXPRLSPZKM-UHFFFAOYSA-N
Compound name
7-(diethylaminomethyl)-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.180156 175.3
[M+Na]+ 344.162098 183.2
[M-H]- 320.165604 183.8
[M+NH4]+ 339.206703 191.9
[M+K]+ 360.136038 183.9
[M+H-H2O]+ 304.170140 169.6
[M+HCOO]- 366.171081 198.3
[M+CH3COO]- 380.186731 217.9
[M+Na-2H]- 342.147546 180.8
[M]+ 321.17233142 179.3
[M]- 321.17342858 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.